Alanyl-arginyl-arginylmethyldimethylsulfonium
TL;DR: Alanyl-arginyl-arginylmethyldimethylsulfonium (CAS 120218-55-5) is a chemical compound with molecular formula C18H38N9O3S+ and molecular weight 460.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-[[(2S)-1-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(diaminomethylideneamino)-2-oxohexyl]-dimethylsulfanium
Also Known As: Ala-arg-arg-CH2-S+(CH3)2, Alanyl-arginyl-arginylmethyldimethylsulfonium, [(3S)-3-[[(2S)-1-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(diaminomethylideneamino)-2-oxohexyl]-dimethylsulfanium, N-(2-Amino-1-hydroxypropylidene)-N~2~-[6-carbamimidamido-1-(dimethylsulfaniumyl)-2-oxohexan-3-yl]argininamide, N-[(2S)-2-Amino-1-hydroxypropylidene]-N~2~-[(3S)-6-(carbamimidoylamino)-1-(dimethylsulfaniumyl)-2-oxohexan-3-yl]-L-argininamide
| Molecular Formula | C18H38N9O3S+ |
|---|---|
| Molecular Weight | 460.28 g/mol |
| LogP | -3.1426 |
| Topological Polar Surface Area | 230.09 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 460.28183 |
| Heavy Atoms | 31 |
| Complexity | 645.18677 |
Chemical Identifiers
| CAS Number | 120218-55-5 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)N[C@@H](CCCN=C(N)N)C(=O)C[S+](C)C)N |
Product Overview
Alanyl-arginyl-arginylmethyldimethylsulfonium (CAS 120218-55-5), with molecular formula C18H38N9O3S+ and molecular weight 460.28 g/mol. IUPAC: [(3S)-3-[[(2S)-1-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(diaminomethylideneamino)-2-oxohexyl]-dimethylsulfanium.
Chemical Property Profile of Alanyl-arginyl-arginylmethyldimethylsulfonium
Property Insights of Alanyl-arginyl-arginylmethyldimethylsulfonium
The XLogP value of -3.1426 indicates that Alanyl-arginyl-arginylmethyldimethylsulfonium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 230.09 Ų indicates high polarity, suggesting Alanyl-arginyl-arginylmethyldimethylsulfonium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alanyl-arginyl-arginylmethyldimethylsulfonium has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanyl-arginyl-arginylmethyldimethylsulfonium?
The CAS number of Alanyl-arginyl-arginylmethyldimethylsulfonium is 120218-55-5.
What is the molecular formula of Alanyl-arginyl-arginylmethyldimethylsulfonium?
The molecular formula of Alanyl-arginyl-arginylmethyldimethylsulfonium is C18H38N9O3S+.
What is the molecular weight of Alanyl-arginyl-arginylmethyldimethylsulfonium?
The molecular weight of Alanyl-arginyl-arginylmethyldimethylsulfonium is 460.28 g/mol.
Where can I buy Alanyl-arginyl-arginylmethyldimethylsulfonium?
You can request a quote for Alanyl-arginyl-arginylmethyldimethylsulfonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanyl-arginyl-arginylmethyldimethylsulfonium?
Yes, KEHONG BIO provides custom synthesis services for Alanyl-arginyl-arginylmethyldimethylsulfonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.